CID 54593900

5'-bromo-1',2'-dihydrospiro[cyclopentane-1,3'-indole]

Structural Information

Molecular Formula
C12H14BrN
SMILES
C1CCC2(C1)CNC3=C2C=C(C=C3)Br
InChI
InChI=1S/C12H14BrN/c13-9-3-4-11-10(7-9)12(8-14-11)5-1-2-6-12/h3-4,7,14H,1-2,5-6,8H2
InChIKey
XAIVBUKCMJRNHM-UHFFFAOYSA-N
Compound name
5-bromospiro[1,2-dihydroindole-3,1'-cyclopentane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

251.03096 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.03824 156.1
[M+Na]+ 274.02018 167.4
[M-H]- 250.02368 162.8
[M+NH4]+ 269.06478 181.6
[M+K]+ 289.99412 155.4
[M+H-H2O]+ 234.02822 156.9
[M+HCOO]- 296.02916 173.5
[M+CH3COO]- 310.04481 170.2
[M+Na-2H]- 272.00563 160.7
[M]+ 251.03041 169.8
[M]- 251.03151 169.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe